(4-Hydroxy-1-phenyl-cyclohexylmethyl)-carbamic acid tert-butyl ester | 267405-19-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (4-Hydroxy-1-phenyl-cyclohexylmethyl)-carbamic acid tert-butyl ester
• CAS: 267405-19-6
• 化学式: C₁₈H₂₇NO₃
• 分子量: 305.417
• InChiKey: KROHALLHLKKPGW-RHNCMZPLSA-N

物化性质

• 沸点：
  449.9±38.0 °C(Predicted)
• 密度：
  1.083±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.38
• 重原子数：
  22.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  58.56
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (4-Hydroxy-1-phenyl-cyclohexylmethyl)-carbamic acid tert-butyl ester 在 盐酸 、 4-二甲氨基吡啶 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 trans 1-N-(2-Methoxyethyl)carbamoyloxy-4-phenyl-4-(3-(2-methoxyphenyl)-3-oxo-2-azapropyl)cyclohexane
  参考文献：
  名称：

  Benzamide derivatives as blockers of Kv1.3 ion channel

  摘要：

  The voltage-gated potassium channel, Kv1.3, is present in human T-lymphocytes. Blockade of Kv1.3 results in T-cell depolarization, inhibition of T-cell activation, and attenuation of immune responses in vivo. A class of benzamide Kv1.3 channel inhibitors has been identified. The structure-activity relationship within this class of compounds in two functional assays, Rb_Kv and T-cell proliferation, is presented. In in vitro assays, trans isomers display moderate selectivity for binding to Kv1.3 over other Kv1.3 channels present in human brain. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00014-3
• 作为产物：
  描述：

  二碳酸二叔丁酯 在 甲醇 、 sodium methylate 、 三乙胺 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 为溶剂， 生成 (4-Hydroxy-1-phenyl-cyclohexylmethyl)-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Benzamide derivatives as blockers of Kv1.3 ion channel

  摘要：

  The voltage-gated potassium channel, Kv1.3, is present in human T-lymphocytes. Blockade of Kv1.3 results in T-cell depolarization, inhibition of T-cell activation, and attenuation of immune responses in vivo. A class of benzamide Kv1.3 channel inhibitors has been identified. The structure-activity relationship within this class of compounds in two functional assays, Rb_Kv and T-cell proliferation, is presented. In in vitro assays, trans isomers display moderate selectivity for binding to Kv1.3 over other Kv1.3 channels present in human brain. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00014-3

文献信息

• CARBOCYCLIC POTASSIUM CHANNEL INHIBITORS
  申请人：Merck & Co., Inc.

  公开号：EP1143965B1

  公开（公告）日：2009-02-25
• US6632836B1
  申请人：——

  公开号：US6632836B1

  公开（公告）日：2003-10-14